Structure Info
- Chemspace ID
- CSMB01997538737 (Enamine MADE)
- IUPAC Name
- 2-methylbutyl 2,3,6-trifluorobenzoate
- Mol formula
- C12H13F3O2
- Mol weight
- 246 Da
- Catalog Number(s)
- BBV-406474551, CSCR00010724447, Z1725489709, s_1458_8989680_8366966, s_1458____8989680____8366966
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.09
- Heavy atoms count
- 17
- Rotatable bond count
- 5
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.416
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSMB01997538737
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